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ASINEX-ZINC00108839

 MMsINC code: MMs00076307
Type: Ionized
Formula: C17H11FNO4S-
SMILES:   S(C1CC(=O)N(C1=O)c1ccc(F)cc1)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C17H12FNO4S/c18-10-5-7-11(8-6-10)19-15(20)9-14(16(19)21)24-13-4-2-1-3-12(13)17(22)23/h1-8,14H,9H2,(H,22,23)/p-1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=60.1659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.342 g/mol  logS: -5.23962  SlogP: 1.6134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963185  Sterimol/B1: 2.76885  Sterimol/B2: 3.20923  Sterimol/B3: 5.14012
  Sterimol/B4: 6.86517  Sterimol/L: 14.0309 
 
 Surface and Volume Properties
  Accessible surface: 512.028  Positive charged surface: 232.755  Negative charged surface: 279.274  Volume: 292.5
  Hydrophobic surface: 368.819  Hydrophilic surface: 143.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs00076306
ASINEX-ZINC00108839